Chemical Properties of Naphthalene, 1-(phenylthio)- (CAS 7570-98-1)

InChI

InChI=1S/C16H12S/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H

InChI Key

UUZCTKYYDFEULY-UHFFFAOYSA-N

Formula

C16H12S

SMILES

c1ccc(Sc2cccc3ccccc23)cc1

Molecular Weight¹

236.33

CAS

7570-98-1

Other Names

• Sulfide, 1-naphthyl phenyl
• 1-(Phenylthio)naphthalene
• 1-(Phenylsulfanyl)naphthalene
• 1-Phenylnaphthylsulfide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4032		Relay (1.0) Calculated Property
ΔfG°	438.80	kJ/mol	Joback Calculated Property
ΔfH°gas	296.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.04	kJ/mol	Joback Calculated Property
ΔvapH°	94.56	kJ/mol	Relay (1.0) Calculated Property
IE	7.60	eV	Relay (1.0) Calculated Property
log10WS	-6.74		Relay (1.0) Calculated Property
logPoct/wat	4.991		Crippen Calculated Property
McVol	185.670	ml/mol	McGowan Calculated Property
Pc	2937.70	kPa	Joback Calculated Property
Inp	[372.71; 372.71]
Inp	372.71		NIST
Inp	372.71		NIST
Tboil	657.99	K	Relay (1.0) Calculated Property
Tc	920.81	K	Relay (1.0) Calculated Property
Tfus	357.45	K	Relay (1.0) Calculated Property
Vc	0.672	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[464.10; 538.84]	J/mol×K	[711.58; 991.64]
Cp,gas	464.10	J/mol×K	711.58	Joback Calculated Property
Cp,gas	479.84	J/mol×K	758.26	Joback Calculated Property
Cp,gas	494.06	J/mol×K	804.93	Joback Calculated Property
Cp,gas	506.91	J/mol×K	851.61	Joback Calculated Property
Cp,gas	518.55	J/mol×K	898.28	Joback Calculated Property
Cp,gas	529.14	J/mol×K	944.96	Joback Calculated Property
Cp,gas	538.84	J/mol×K	991.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1-(phenylthio)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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